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Compound Detail

CHEMBL48222

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c1ccc(-c2nccnc2-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48222
Phase Preclinical
Structure Type MOL
InChI Key PTZIVVDMBCVSMR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
3.81
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2
MW 232.29
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
12067559 10.1016/s0960-894x(02)00243-3 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine